SCHEMBL5547276

SCHEMBL5547276

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2ccc(N3CCOCC3)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
EGLN1 Q9GZT9 1/20 0.40
PRKAA2 P54646 1/20 0.39
CNR1 P21554 3/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
LRRK2 Q5S007 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
STAT6 P42226 1/20 0.37
HTR3A P46098 1/20 0.37
AXL P30530 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5545896 0.91 MEN1 (0.40) CNR2EGLN1CNR1MEN1KMT2A
SCHEMBL5547361 0.90 EGLN1 (0.41) CNR2EGLN1PRKAA2CNR1HTT
SCHEMBL5540839 0.90 EGLN1 (0.40) CNR2EGLN1CNR1MAPTHTR3A
SCHEMBL5540728 0.87 HTR3A (0.51) CNR2CNR1HTR3A
SCHEMBL5545713 0.85 EGLN1 (0.40) CNR2EGLN1HTTMAPTTP53
SCHEMBL5547005 0.83 MEN1 (0.39) CNR2EGLN1CNR1MEN1KMT2A
SCHEMBL5547211 0.83 CNR2 (0.42) CNR2CNR1MAPTTP53MEN1
SCHEMBL5545788 0.82 HTR3A (0.48) CNR2CNR1HTR3ACYP1A2CYP3A4
SCHEMBL5545952 0.82 MAPK14 (0.42) CNR2CNR1HTTMEN1KMT2A
SCHEMBL5547369 0.81 MEN1 (0.41) CNR2EGLN1MEN1KMT2ANTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CNR2 3954/4885EGLN1 3142/4885PRKAA2 1259/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885EGLN1 3238/4885PRKAA2 1328/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.